Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629703

SCHEMBL16629703

SCHEMBL16629703

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccc5cccnc5c34)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ TOP1 P11387 3/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ TSPO P30536 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ AVPR2 P30518 1/20 0.30
▸ AVPR1A P37288 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16629676 0.94 NPY5R (0.32) NPY5RKDM4EMAPTNPSR1PTGES
SCHEMBL16629705 0.92 MAPT (0.34) KDM4EMAPTNPSR1METAP2CYP3A4
SCHEMBL16629621 0.88 ALK (0.34) NPY5RPTGESMETAP2AVPR2AVPR1A
SCHEMBL16629670 0.87 CYP3A4 (0.36) NPY5RKDM4EMAPTNPSR1PTGES
SCHEMBL17946128 0.87 METAP2 (0.30) METAP2
SCHEMBL16629615 0.87 METAP2 (0.30) METAP2
SCHEMBL16629678 0.87 AKT1 (0.32) NPY5RKDM4EMAPTNPSR1METAP2
SCHEMBL16629640 0.86 KDM4E (0.31) KDM4EMAPTNPSR1
SCHEMBL16629604 0.86 GAA (0.39) NPY5RKDM4EMAPTNPSR1PTGES
SCHEMBL16629672 0.85 PTGES (0.31) PTGESMETAP2HPGDCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 NPY5R 3215/4885KDM4E 1939/4885MAPT 2400/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 NPY5R 3215/4885KDM4E 1939/4885MAPT 2400/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.